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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/04/2310498.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310498
loop_
_publ_author_name
'Tegenfeldt, J.'
'Olovsson, I.'
_publ_section_title
;
 Hydrogen bond studies. X. The crystal structure of ammonium
 hydrogenperoxide
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              934
_journal_page_last               941
_journal_volume                  21
_journal_year                    1966
_chemical_formula_sum            'H5 N O2'
_chemical_name_systematic        '(N H4) (O O H)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 121.73
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.58
_cell_length_b                   6.767
_cell_length_c                   6.143
_cell_volume                     232.646
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Tegenfeldt_ACCRA9_1966_1063.cif
_cod_data_source_block           H5N1O2
_cod_original_cell_volume        232.6458
_cod_original_formula_sum        'H5 N1 O2'
_cod_database_code               2310498
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
N1 N-3 0.7444 0.118 0.9991 1 0.0
O1 O-1 0.6673 0.6764 0.1635 1 0.0
O2 O-1 0.8244 0.676 0.8648 1 0.0
